Web Access Research Portal

Researcher: Cavell, KJ (Professor Kingsley Cavell)

Fields of Research

Transition metal chemistry
Organometallic chemistry
Catalysis and mechanisms of reactions
Theoretical and computational chemistry
Theoretical quantum chemistry
Organic chemical synthesis
Physical organic chemistry
Commercial services
Other chemical sciences

Research Objectives

Expanding knowledge in the chemical sciences
Industrial chemicals and related products
Other commercial services and tourism
Organic industrial chemicals (excl. resins, rubber and plastics)
Plastics
Human pharmaceutical treatments

Career Best Publications

Research Publications

'Beyond Metallocene': polyalkene catalysts based on new Group 4 and Group 10 transition metal complexes; 23rd Australian Polymer Symposium - Polymers for the new millenium
N-Heterocyclic Carbene Complexes for the Heck Reaction; PacificChem 2000
A route to new methylpalladium(II) carbene complexes; Journal of Organometallic Chemistry
A study of bis-nitrogen chelating ligands used for catalysts; World Assn of Theoretically Oriented Chemists 99
A Study of Bis-Nitrogen Chelating Ligans used for Catalysis; 11th RACI
Basicity of Nucleophilic Carbenes in Aqueous and Nonaqueous Solvents - Theoretical Predictions; Journal of the American Chemical Society
Beyond metallocene chemistry: catalysts for the polymerisation of alkenes
Beyond Metallocene Chemistry: Catalysts for the polymerisation of alkenes
Beyond metallocene chemistry: catalysts for the polymerisation of alkenes
Bis[tris(1-methyl-1H-imidazol-2-yl)phosphine-kappa N-3(3)]iron(II) tetrachloroferrate(II) methanol tetrasolvate (ca 153 K) and bis[tris(1-methyl-1H-imidazol-2-yl)methanol-kappa N-3(3)]iron(III) bis[tetrachloroferrate(III)] chloride (redetermination, ca 153 K); Acta Crystallographica Section C - Crystal Structure Communications
Bridged 1-Methylbisimidazoles as Building Blocks for Mixed Donor Bi- and Tridentate Chelating Ligands; Synthesis
Carbon monoxide migratory insertion; 3rd GM Schwab Symposium; Catalysis for Organic Synthesis
Carbon monoxide migratory insertion - a comparison of cationic and neutral palladium(II) complexes; 9th International Congress of Quantum Chemistry
Carbonylation of hydrocarbylpalladium(II) complexes containing substituted pyridinecarboxylate chelating ligands. Steric and electronic manipulation of the CO-insertion mechanism; Journal of the Chemical Society, Dalton Transactions
Carbonylation reactions of palladium catalysts; PacifiChem 95
Catalytic production of a 1-hexene rich comonomer feed
Cationic methyl-palladium(II) complexes containing bidentate N-O and P-O ligands and a tridentate P-O-N ligand: Synthesis, carbonylation and catalytic applications in the copolymerisation of carbon monoxide and ethene; Journal of Organometallic Chemistry
Cationic methylpalladium(II) complexes containing bidentate N-O ligands as catalysts for the copolymerisation of CO and ethylene. Identification and isolation of intermediates from the stepwise insertion reactions, and subsequent detailed mechanistic interpretation; Journal of the Chemical Society, Dalton Transactions
Cationic methylpalladium(II) complexes with bidentate N-O and P-O ligands and a tridentate P-O-N ligand. Synthesis, carbonylation and catalytic applications in the copolymerisation of CO and ethylene; XVIIth International Conference on Organometallic Chemistry
Cationic palladium(II) complexes with hemilabile N-O ligands as catalysts for the copolymerisation of CO and ethylene; XVIIth International Conference on Organometallic Chemistry
Clean chemical processing through ionomer immobilised catalysts; XVIIth International Conference on Organometallic Chemistry
CO and Ethylene Activation: Catalysts for the Conversion of Ethylene and the Co-Polymerisation of CO and Ethylene; Pacifichem '95
Competing mechanisms in the carbonylation of neutral palladium(II) complexes containing bidentate ligands: theoretical insights; Chemical Communications
Competing reaction mechanisms for the carbonylation of neutral palladium(II) complexes containing bidentate ligands: a theoretical study; Organometallics
Competing reaction mechanisms involved in palladium catalysed carbonyl insertion; Molecular Quantum Mechanics Conference
Competition between Carbene and Pseudo η3-Allyl Bonding Modes in a Palladium (II) Complex of a Functionalized Bis(imidazolium) Ligand; Organometallics
Dean's Award for Research Excellence
Dichloro(methanol-kappa O)[(methoxy)tris(1-methyl-1H-imidazol-2-yl)methane-kappa N-2(3)]iron(II) (ca 153 K); Acta Crystallographica Section C - Crystal Structure Communications
Dimerization mechanisms of heterocyclic carbenes; Journal of Physical Organic Chemistry
Donor-Functionalized Heterocyclic Carbene Complexes of Palladium (II): Efficient Catalysts for C-C Coupling Reactions; Organometallics
Ethene insertion into a palladium-acetyl bond: Crystal structure of [Pd(CH(2)CH(2)COMe)(NC(5)H(4)CO(2)Me-2)(PPh(3))]BF4, a novel reaction intermediate from the insertion process; Chemical Communications
Hemilabile ligands in palladium catalysed C-C linkages: the effect of the donor atom in codimerisation of styrene with ethylene; Journal of Molecular Catalysis A: Chemical
Hydrocarbyl complexes of metal carbenes: synthesis, reaction chemistry and catalysis; Organometallics and Catalysis
Increased catalytic activity of cationic palladium(II) complexes on immobilisation in Nafion-H+; Journal of Molecular Catalysis A: Chemical
Influence of geometry on reductive elimination of hydrocarbyl-palladium-carbene complexes; Dalton Transactions
Insertion into the nickel-carbon bond of N-O chelated arylnickel(II) complexes. The development of single component catalysts for the oligomerisation of ethylene; Journal of Organometallic Chemistry
Invesitgation of Phillips Catalyst: Process for Olefin Oligomerisation/Polymerisation
Investigation of Patent: 'Process for Olefin Polymerisation'
Kinetic and Density Functional Studies on Alkyl-Carbene Elimination from PdII Heterocyclic Carbene Complexes: A New Type of Reductive Elimination with Clear Implications for Catalysis; Journal of the American Chemical Society
Large basis set calculations on model zerovalent palladium systems; Journal of Physical Chemistry
Ligand substitution: An assessment of the reliability of ab initio calculations; The Journal of Physical Chemistry
Mechanistic Aspects of CO and ethylene insertion. Isolation of an important intermediate from the catalytic formation of polyketones; XVIIth International Conference of Organometallic Chemistry
New methylpalladium carbene complexes; Organometallic Chemistry in the South Pacific
New Palladium-Carbene Complexes: Synthesis and Reaction Chemistry; RACI, Inorganic Chemistry Division Conference, IC'98
New phosphine ligands with the OPN donor configuration; Dalton Transactions
Nickel(II) chelate complexes as homo- and copolymerisation catalysts; XVIIth International Conference on Organometallic Chemistry
Novel bis-imidazole palladium catalysts. A study of their catalytic activity; Organometallic Chemistry in the South Pacific
Novel cationic and neutral Pd(II) complexes bearing imidazole based chelate ligands: synthesis, structural characterisation and catalytic behaviour; Journal of Organometallic Chemistry
Novel Chromium (III) Complexes Containing Imidazole-Based Chelate Ligands with Varying Donor Sets: Synthesis and Reactivity; Organometallics
Novel Methylpalladium(II) Complexes Bearing Tridentate Imidazole-Based Chelate Ligands: Synthesis, Structural Characterization, and Reactivity; Organometallics
Oxidative addition of 2-substituted azolium salts to Group-10 metal zero complexes-A DFT study; Dalton Transactions
Oxidative Addition of the Imidazolium Cation to Zerovalent Ni, Pd, and Pt: A Combined Density Functional and Experimental Study; Journal of the American Chemical Society
Palladium(II) complexes containing mono-, bi- and tridentate carbene ligands. Synthesis, characterisation and application as catalysts in C-C coupling reactions; Journal of Organometallic Chemistry
Process of olefin oligomerisation/polymerisation
Process of olefin oligomerisation/polymerisation
Reaction of CO with a Methylpalladium Heterocyclic Carbene Complex: Product Decomposition Routes - Implications for Catalytic Carbonylation Processes; Organometallics
Recent fundamental studies on migratory insertion into metal carbon bonds
Removal of unsaturated contaminants from an industrial C-4- stream using Cu/SiO2 catalysts: Subsequent testing of the purified stream with an alkyne sensitive catalyst system; Applied Catalysis A: General
Rhodium-Catalyzed C-C Coupling Reactions: Mechanistic Considerations; Organometallics
Single component N-O chelated arylnickel(II) complexes as ethene polymerisation and CO/ethene copolymerisation catalysts. Examples of ligand induced changes to the reaction pathway; Journal of Organometallic Chemistry
Synthesis and carbonylation studies on methylpalladium(II) complexes containing chelating pyridinecarboxylate ligands: dynamic behaviour of the ligands and implications for the carbonylation mechanism; Journal of the Chemical Society - Dalton Transactions
Synthesis and reaction chemistry of mixed ligand methylpalladium-carbene complexes; Journal of Organometallic Chemistry
Synthesis and Structure of Potassium 1-Benzylimidazol-2-carboxylate.2/3Hydrate; Zeitschrift fuer Anorganische und Allgemeine Chemie
Synthesis and Structures of the Ligands 1-Methylimidazol-2-yl(pyridin-2-yl)-methanone {(py)(mim)CO} and 1-Benzylimidazol-2-yl(1-phenylaldimine) (PhN=CHbim) as their Tetracarbonylmolybdenum(0) Complexes [Mo(CO)4(L2-N,N')]; Zeitschrift fuer Anorganische und Allgemeine Chemie
Synthesis of N-heterocyclic carbene palladium(II) bis-phosphine complexes and their decomposition in the presence of aryl halides; Dalton Transactions
Synthesis of Methylpalladium(II) and Platinum(II) Complexes Containing Labile Chelates and Olefinic Tertiary Phosphine Ligands. Intramolecular Insertion of an Olefin into a Pd(II)-Carbon Bond, and Activation of a C-H Bond by a Pt(II) Complex; Journal of the Chemical Society - Dalton Transactions
Synthesis of new adducts and co-ordination complexes of zirconium and titanium containing beta-aminoketone ligands. Crystal structures of isostructural adducts MCl4·2Pr(i)HNCMe=CHCMe=O (M = Ti or Zr) and the complex [Zr(PhNCMe=CHCMe=O)(2)Cl-2]; Journal of the Chemical Society, Dalton Transactions
Synthesis of nickel(II) complexes containing neutral N,N and anionic N,O- bidentate ligands, and their behaviour as chain-growth catalysts; structural characterisation of complexes containing (mim)2CO, mimCO2-, and mimCPh2O- (mim = 1-methylimidazol-2-yl); Inorganica Chimica Acta
The influence of N-substitution on the reductive elimination behaviour of hydrocarbyl-palladium-carbene complexes-a DFT study; Dalton Transactions
The mode of decomposition of hydrocarbyl-carbene complexes of Pd(II) and Ni(II); Organometallic Chemistry in the South Pacific
The mode of decomposition of hydrocarbyl-carbene complexes of Pd(II) and Ni(II); OMCOS 10
The structure of a methylpalladium(II) complex of pyridine-2-carboxylato(N-O) and triphenylphosphine (PPh3), [Pd(CH3)(N O)(PPh3)]; Australian Journal of Chemistry
The Zirconium Catalysed Oligomerisation of Ethylene
Theoretical modelling of carbonylation reactions: cationic versus neutral palladium-alkyl complexes; XVIIth International Conference on Organometallic Chemistry
Theoretical studies of the oxidative addition of azolium salts to a model Wilkinson's catalyst; Dalton Transactions
Tridentate Ligands in Palladium Based Reaction Chemistry; RACI, Inorganic Chemistry Division Conference, IC'98
Tris[bis(1-methyl-1H-imidazol-2-yl)methanone-kappa N-2(3)]iron(II) dichloride 5.5-hydrate, cis-bis[bis(1-methyl-1H-imidazol-2-yl)methanone-kappa N-2(3)]dichloroiron(II) (ca 153 K) and di-mu-chloro-bis{[bis(1-methyl-1H-imidazol-2-yl)methanone-kappa N-2(3)]chloroiron(II)} methanol disolvate (ca 300 K); Acta Crystallographica Section C - Crystal Structure Communications
Unprecedented C-H bond oxidative addition of the imidazolium cation to Pt-0: a combined density functional analysis and experimental study; Chemical Communications
Zerovalent palladium and nickel complexes of heterocyclic carbenes: Oxidative addition of organic halides, carbon-carbon coupling processes, and the Heck reaction; Organometallics
Zirconium complexes as catalysts for the oligomerisation of ethylene: the role of chelate ligands and the Lewis acid cocatalyst in the generation of the active species; Journal of Molecular Catalysis A: Chemical
Zirconium Complexes as Catalysts in the Oligomerisation of Ethylene - Optimisation Program
[Bis(diphenylphosphino)alkane](pentane-2,4-dithionato) complexes of nickel (II); Acta Crystallographica Section C

Research Projects

1999 Supplementary Funding; University of Tasmania (UTAS)
A new approach to heterogenizing homogeneous catalysts using perfluorinated membrane (nafion); CSIRO/University of Tasmania (CSIRO/UTAS)
A study of fundamental reaction steps in the activation of small molecules leading to the development of catalysts for the efficient production of ...; Australian Research Council (ARC)
A study of fundamental reaction steps in the development of catalysts for the conversion of lower olefins into specialty chemicals; Australian Research Council (ARC)
A study of homogeneous catalyst systems for the conversion of lower olefins; Australian Research Council (ARC)
Australian/German applied catalysis network: working party; Department of Industry, Tourism & Resources (DITR)
Carbon supported catalysts for conversion of lower olefins into specialty chemicals; CSIRO/University of Tasmania (CSIRO/UTAS)
Catalysts for the Selective Conversion of Petrochemical Feedstock into Higher Molecular Weight Products for the Polymer Industry; Australian Research Council (ARC)
Catalytic production of a 1-hexene rich comonomer feed; Australian Research Council (ARC)
Chemical Synthesis from Carbon Dioxide using novel catalyst systems; Australian Research Council (ARC)
Computer modelling and the design of catalysts for carbonylation reactions involving palladium and platinum complexes.; Australian Research Council (ARC)
Computer modelling of catalysts for copolymerisation of carbon monoxide and ethene; Australian Research Council (ARC)
Development of cationic metal-complex catalysts for CO and hydrocarbon conversions and their application in clean technology.; Department of Industry, Tourism & Resources (DITR)
Development of highly confined or "Ship in Bottle" catalysts for the conversion of hydrocarbon feedstock, into value added products, with unique specifi; University of Tasmania (UTAS)
Development of new catalytic materials for the conversion of lower olefins into selected oligometric products; Department of Industry, Tourism & Resources (DITR)
Dithiochelate nickel phosphine based systems for the catalytic oligomerisation of butanes; Australian Research Council (ARC)
Encapsulation of metal-complex catalysts within zeolite cages; Australian Research Council (ARC)
Liquid phase methanol producation: catalyst development; Australian Institute of Nuclear Science & Engineering (AINSE)
Liquid phase methanol production: catalyst development, characterization & evaluation; CSIRO/University of Tasmania (CSIRO/UTAS)
New industrial catalysts for specialty and fine chemicals manufacture; Australian Research Council (ARC)
Novel Metal Carbene Complexes as Catalysts for the Formation of Specialty Chemicals; Australian Research Council (ARC)
Preparation for collaborative grant.; University of Tasmania (UTAS)
Pulp retention studies; CSR Wood Panels/Chemplex Australia Ltd (CSR/Chemplex)
The application of membrane supported catalysts in chemical synthesis; University of Tasmania (UTAS)
The development of new cataltic materials for the conversion of lower olefins into selected oligomeric products; Department of Industry, Tourism & Resources (DITR)
Orica R&D Dispute:ATO

Research Candidate Supervision

Application and development of organometallic chemistry in extractive metallurgy
Catalytic production of a l-hexene rich comonomer feed
Chelated di-nitrogen complexes. Theoretical and catalytic aspects.
Computer modelling and the design and development of catalyst systems
Direct conversion of methane to highe hydrocarbons
Functionalised Nucleophilic Heterocyclic Carbene (NHC) complexes of Silver(I) and Palladium(II)- Chemistry, Structure and Catalysis
Fundamental studies on the co-reaction of CO with unsaturated hydrocarbons.
Heterocyclic Carbene Complexes- Reaction Chemistry and Catalytic Applications
Homogeneous Cataysis; The preparation identification and testing of nickel, zirconium and palladium complexes for homogeneous catalysis
Imidazole Substituted Ligands in Late Transitional Metal Catalysis. Comparative Synthetic, Spectroscopic and Catalytic Studies
Intramolecular Co-Ordination Systems at Platinum and Palladium
N-O Chelated Nickel (II) Complexes as Polymerisation and Ethene/Carbon Monoxide Co-Polymerisation.
New Routes to Co-Based Chemicals- CAtalyst Development.
Nickel (II) Compleses of Thio-B-Diketonates as Olefin Conversion Catalysts
Organic chemistry of pulping and bleaching of Tasmanian Eucalypt species
Synthesis of adsorbents for metal ions in soils and ores
The Influence of Heteroatom Substitution on Heterocyclic Carbenes and their Complexes
The Synthesis and Decomoposition Behaviour of Methylpalladium(II) N-Heterocyclic Carbene Complexes
TITLE- Investigation of the perfluorinated polymer nafion as a catalyst support